Geometry & MOs

Info

ID:	231116
PubChem CID:	87572684
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	468.190794
ΔH_f, kcal/mol:	19.97
Dipole, Da:	6.41
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[1-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC(=NC1=CC=C(C=C1)C=O)NNC(=S)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations